@TOME V2.2
(Nov 2016)
Ref.
-
Doc.
Global output mode :
Sort entries by :
Atome Result
Tools Result
PDB occurence
Core Structure Cluster
Sequence Color type :
Secondary Structure
Hydrophobicity
Disulfide Bonds
TCoffee Identity Score
Uniprot annotation
Core Structure Cluster
Contacts with Ligands
Show alignment :
Atome selection
All alignments
Only Template with Ligand
Column output:
Score:
Atome Rank Value
Tools Score
Hide column
Alignment:
Sequence Identity (%)
Tcoffee Alignment Score
Hide column
3D Common Core:
Tito PKB Score
Verify3D Score
QMean Score
Hide column
Structural Clustering:
Cluster Num
3D-Jury Struct. Score
Hide column
Modeller Result :
Model Rank
QMean Score
Dfire Score
Dope Score
Errat Score
Verify3D Score
Modeller Score
Hide column
Complexes Modeling
Show Ligands of Templates
Complexes Affinity Score
Main Binding Site Identity
Hide column
Templates Information:
Uniprot entry
Cath class
Scop class
Smart class
Prosite class
Pfam class
EC Number
Taxonomy
Experiment Method
Hide column
Sequence & Result Tab:
PDB Template Sequence
Complexes Tab
Values color: [
Good
|
Correct
|
Middling
|
Bad
]
Sequence color :
Mutated
Helix
Strand
Conserved
Query sequence : T0770: (2014-05-08 )
MIMKKKILAYALSALTCGLFTSCSDWLDINHDPNTAEKVDPGYLFNYVAVNWAGTRTGGDFYIPLSMSSQCQVDGGLDYGGWDESVYTISPYSTGNTWKHYYSVGGNNLMLAIKNAEEADPVNHNAIAQCKILLAEHMYEATMLWGDIPFTESWNGTIKYPKFDSQESVLNGVLSLLDEALQIMDLNDANAIDEYDIYYKGDMNKWMTLAKSLKFRTLMVMVDKDPSKATAIGTLLQAGGMVSSASDNLVFPYSAEPGNQNPKYELIELVGGTQILFFASNYMLKPMQERNDPRIPCYFEPGADGVYRGLGNREPAVTDDKDNMLSSVVSSYLFRKDAPELIYSCQEQLLLEAEAYARGLGVAQNLSKANELYKKGIREACAFYGVAEADIDTYVTGLPELTALTQEKALYEIHMQQWIDLMDRPFEEFVQWRRSGTAGNEVPTLQVPEDATSKELIRRWEYSPEEMTANINAPKESPKIWEKLWFDL
Atome Classification :
(20 SA)
.........10........20........30.......-.40..-------.-..-----...50.....-----.---.----.60.--.--.......70.......--.-80.--.-.-..-...-.90..--.......--100....-.--..110..-.....--120...-..-.-..130......-.-140.-.-.-....150..-..--.---..---160.........170........180...------..-.-.190--....----.....200..-----.....210....--..-.220---..-----.----...---.---.--230....-.--..-.-----240-.......250.......-.260.-.------------------...----..270---------....----.-.-.--------..-280---.....-.-.290---------------------...-..--...--300--.-----------.----------.-------.-----------....310-.-----------------.------.-----..---..----.----.320.---.---...-....330-..-----..----..---..340.-......350...-....360-.......370.......380---------....------------.----------.---------.-------------..----------------------390-----------.......---------.-------------------------.----------------------------400---------------.----.---------------------..----.-------------------------------.----.-------------.----------.410......-.-420.--.-.-.-....430..-----.....440..-.-.--.----.-.-450.----..-..------.----------..-460-........470...---------.-------------.--------..480-------.-------..-....--
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MI
M
K
K
K
I
L
A
Y
A
L
S
A
L
T
C
G
L
FTS
C
S
D
W
L
DINHDPNTAEK-VDPG
Y
-------
L
-
F
N
-----
Y
V
A
V
N
W
A
GTR-----T---G----G
D
-
F
--
Y
--
I
PLSMSS
Q
C
QVDGGLD--Y-G-G--W-D-E
S
-
V
Y
T
-IS-PY--STGN
T
W
K
--
H
Y
Y
S
VGG-
N
--
N
L
M
L
A
IK-NAEEA--DP-VN
H
-
N
A
-
I
-
A
Q
C
K
I
L
L
A
E
H
M
-
Y
-
E
A
T
M
-L-W-GDIPFTESW-NG--
T
---
I
K---Y--PKFD
S
Q
E
S
V
L
-
N
G
V
L
S
L
L
D
E
A
L
Q
IMD------LN-D-AN----AIDE----
Y
D
I
Y
Y
KG
D
M
N
-----
K
W
M
T
L
A
K
SL
K
F
R
--
T
L
-
M
V
M
----VD-----K----DPS---
K
---
A
--
T
A
-
I
G
T
L
-
L
--
Q
A-G-----GMV-SSASD
N
L
V
-
F
P
YSAEPG-NQNPK-
Y
------------------
E
L
I
----
E
LV-----------GG
T
Q
----
I
-
L
-
F
--------
F
A-SNY---MLK
P
M
-
Q
-ERN----------------------DPR-
I
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--
C
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F--EP---G-----------A----------
D
-------
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-----------
V
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RGL---G-----------------N------R-----EP---AV----T----D
D
--
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---
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---
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-----FR----KD---
A
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T
----
S
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------
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----------
R
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-W-E-Y
S
P
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MTANINAPK---------E-------------S--------
P
K
I
W
--------
E
-------
K
L
-WFDL--
29
HHSearch
93.03
22%
-43
- C3 -
3SGH
-
?
A:
[16-493]
----------------------------------------
P
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-------
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---
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------------
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----------
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-------------
G
-------------------------------------
A
D
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Y
L
A
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---------
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T
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Y
V
DNLIAGHTGNNYTNQSSITIK
W
-----------------
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----
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---------------------
G
A
----
D
-------------------------------
D
----
A
-------------
K
----------
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L
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--
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-----
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----
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R
R
-
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N
N
N
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V
E
---------
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LSNG-----
K
--------
D
S
N
G
--------
T
-------
D
L
-
W
W
A
M
--
1
PsiBlast_PDB
91.62
25%
-62
- C3 -
3EJN
7
?
A:
[16-445]
-------------------------------------
Q
-
T
H
P
K
L
-------
L
-
L
T
-----
Q
I
C
M
N
A
F
K
R
G
-----
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---
D
----
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-
Y
--------
A
T
K
K
V
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Q
A
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----------------
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Y
Y
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--
T
R
G
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F
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--
Y
Y
------
D
--
N
L
R
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-
M
G
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--
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P
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N
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----
V
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-----
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Y
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L
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L
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--
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----
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-----
H
TTVG
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---
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A
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P----------------
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----
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T
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G
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D
N
N
------------------------------------------------------------------
39
HHSearch
88.97
19%
-40
- C3 -
4F7A
3
?
A:
[22-506]
------------------------------------------
T
T
-------
N
-
F
E
-----
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Q
K
G
I
Y
F
N
Y
DWGEG
T
---
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P
--
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K
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N
----------------------------
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-----------------
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---------------------
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P
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GGA-
D
N
G
G
--------
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-------
R
L
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W
W
D
T
--
34
HHSearch
88.23
21%
-44
- C3 -
3P1U
-
?
A:
[15-520]
--------------------------------------N
M
N
E
P
R
-------
L
-
A
S
-----
T
L
R
G
G
L
I
I
E
G
-----
N
---
V
----
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--
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--
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--
G
------
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D
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-
T
-
L
A
A
D
-
K
-
F
-
G
P
M
P
F
P
A
Y
E
-
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V
------
E
A
---
N
--
P
P
Y
K
S
L
K
D
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-
D
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Y
F
R
E
L
D
A
A
I
N
G
F
N
------
D
S
-
A
-
Q
P
----
I
F
S
D
AG--
I
D
L
I
Y
K
N
D
V
S
-----
K
W
K
R
F
A
N
S
L
R
L
R
--
L
A
-
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R
L
----
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-----
V
----
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Q
E
---
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L
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G
S
-
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--
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------------------
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----
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-----------
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I
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W
----
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--------
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S
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WPQGVVNQTSGVAVSSVHPEKV
D
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N
-------
G
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---
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---
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----
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----
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--
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Y
---
Q
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---
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P
Y
----
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S
---
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P
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A
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S
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E
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S
-----------
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A
T
W
------------
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----------
V
---------
T
-------------
S
E
------------------------------------
V
D
D
Y
L
T
S
TEKNEAGTS
A
-------------------------
R
----------------------------
Y
-----------------
D
----
D
---------------------
Q
Q
----
G
A------------------------------
G
----
N
-------------
T
----------
A
L
E
K
I
I
T
Q
K
Y
-
I
-
A
-
G
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--
P
-
D
L
A
-
Q
E
G
W
N
D
K
R
R
-----
L
N
L
P
R
L
D
V
A
V
-
Y
-
R
DQ
A
----
V
-
Y
-
N
-
N
N
----
D
K
-
D
I
LKSANF
I
----------
K
R
-
M
-
R
-
Y
P
T
K
E
S
L
I
N
A
T
E
Y
E
---------
K
-------------
G
K
S
M
L
GGKG
D
I
V
S
--------
T
-------
P
L
-
W
W
D
K
--
32
HHSearch
86.94
19%
-42
- C3 -
3EHM
-
?
A:
[22-523]
-------------------------------------------
P
-------
L
-
K
Y
G
A
R
F
M
N
M
Q
Q
R
V
I
P
I
G
-----
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PSL
T
T
G
P
G
N
D
-
L
--
Q
N
T
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L
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G
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Y
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G
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G
N
N
N
--
N
-
W
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--
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N
-
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A
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N
W
N
-
F
T
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--
R
M
N
Y
A
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Q
--
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F
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Q
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L
--
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W
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S
--
D
S
P
S
E
Q
-
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L
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A
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N
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D
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V
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G
P
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A
Y
N
S
A
G
-
D
G
------
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---
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P
K
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D
S
Q
E
V
V
Y
-
R
S
M
L
A
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L
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S
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E
L
L
N
------
T
I
-
S
-
Y
S
----
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M
A
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----
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D
L
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Y
N
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N
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S
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L
L
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S
M
-
L
------------------
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-------------------
N
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A
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L
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Y
K
----------------------
D
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R
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L
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SGSWA---
Q
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T
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V
---
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-----
N
S
---
K
S
----
K
----
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T
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F
A
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R
--
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K
-----
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D
----
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N
---
S
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L
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W
F
-
R
A
S
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N
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G
D
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K
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G
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S
-----------
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Q
E
Q
------------
G
----------
V
---------
S
-------------
G
-------------------------------------
V
A
T
Y
L
S
G
---------
T
G
K
P
T
G
L
T
G-----------------
S
NYKY
G
T
Y
N
H
DLSIGNTSPK---------
W
-----------------
D
----
D
---------------------
Y
T
GNLS
K
-------------------------------
Q
----
E
-------------
E
----------
Q
L
Q
K
I
I
T
Q
K
Y
-
L
-
A
-
L
Y
--
P
-
N
-
A
-
V
E
A
W
T
E
Y
R
R
-----
T
G
F
P
Y
L
M
K
P
M
-
D
-
E
--
A
----
A
-
P
-
G
R
I
G
ASIE
D
C
-
R
V
------
P
----------
E
R
-
F
-
R
-
F
A
P
T
A
Y
N
S
N
-
P
N
M
A
---------
E
I
P
T
L
L
GG------
G
--------
D
I
G
A
--------
T
-------
K
L
-
W
W
V
R
--
31
HHSearch
84.30
24%
-42
- C3 -
3EJN
7
?
A:
[16-472]
-------------------------------------
Q
-
T
H
P
K
L
-------
L
-
L
T
-----
Q
I
C
M
N
A
F
K
R
G
-----
T
---
D
----
G
M
-
Y
------------
A
T
K
K
V
I
Q
A
D
--
G
------
E
-
S
-
A
D
-
Q
Y
Y
K
W
T
-
R
G
--
S
----
F
---
G
Y
Y
-
D
N
L
-
R
--
N
V
Q
K
M
G
E
-
E
A
E
R
V
-----
N
A
P
-
V
Y
-
T
-
A
L
T
K
F
F
R
A
Y
Y
F
-
Y
-
E
L
T
L
-
R
-
F
-
G
D
I
P
Y
S
Q
A
L
-
K
--------
Y
---
T
--
P
E
Y
D
A
Q
E
D
V
F
-
A
G
I
L
Q
E
L
R
E
A
D
E
I
L
A
------
N
D
-
A
-
S
------
V
I
D
----
G
D
I
I
Y
N
G
N
S
T
-----
Q
W
R
K
L
I
N
S
F
R
L
K
--
V
L
-
M
T
L
----
S
N
-----
H
----
T
T
V
-------
G
--
N
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-
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K
-
N
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A
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NS
P
L
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S
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A
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Q
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L
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Q
G
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N
R
Y
P
Q
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F
------------------
N
A
---------------------
Q
W
----
S
-
G
-
Y
--------
Y
M
-
D
D
T
---
F
I
Q
R
M
-
R
-
E
R
R
----------------------
D
P
R
-
L
F
--
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F
S
--
A
Q
---
T
N
K
G
K
T
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GKPID
D
----------
F
-------
S
-----------
S
Y
E
G
G
---
D
-----------------
P
------
A
-----
A
P
---
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----
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----
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K
V
-
S
-------
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S
P
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N
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--
R
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D
P
----
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V
---
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P
T
M
L
M
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Q
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A
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V
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G
W
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-----
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A
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Y
Y
E
K
G
I
R
A
S
-----------
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S
F
Y
------------
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----------
T
H
A
K
DYAGYL
N
-------------
E
N
----------------------
A
-------------
V
A
Q
Y
L
K
E
---------
P
-------------------------
L
----------------------------
V
DF---------------
T
----
Q
---------------------
A
S
----
G
-------------------------------
T
----
E
-------------
E
----------
Q
I
E
R
I
I
M
Q
K
Y
-
L
-
V
T
F
Y
--
Q
-
G
-
N
-
W
D
S
F
Y
E
Q
L
R
-----
T
G
Y
P
D
F
R
R
P
------------
A
-----------
G
T
-
E
I
------
P
----------
K
R
-
W
-
M
-
Y
P
Q
G
E
Y
D
N
N
G
T
N
V
E
T
A
I
T
R
Q
FGA
G
-------------
N
--------
D
K
I
N
--------
Q
-------
A
T
-
W
W
Q
K
--
33
HHSearch
84.27
20%
-39
- C3 -
3CGH
-
?
A:
[10-514]
--------------------------------
P
Y
E
A
P
D
-
L
S
A
D
G
-------
Y
A
L
G
-----
S
A
M
N
N
L
A
G
C
V
-----
V
SP-
D
----
V
N
T
A
Q
F
T
--
D
C
L
L
G
G
P
L
G
G
Y
F
A
D
S
N
--
A
-
G
F
T
--
E
-
T
-
I
S
-
N
F
N
-
P
K
-
D
D
--
W
S
R
V
F
L
K
SD
K
I
I
P
T
L
Y
-
S
--
N
L
T
Q
V
K
L
-
V
S
Q
N
T
--
N
---
D
P
-
V
P
-
Y
-
A
I
A
Q
V
I
K
V
A
A
M
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R
V
T
D
-
A
-
F
-
G
P
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P
Y
S
Q
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A
N
--
G
---
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---
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--
T
P
Y
D
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Q
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T
Y
-
N
T
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L
N
A
A
I
A
T
L
N
------
E
N
-
S
N
E
Q
----
L
V
P
T
----
A
D
Y
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-----
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W
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R
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A
N
S
L
K
L
R
--
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A
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R
I
----
A
Y
-----
A
----
N
P
V
---
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---
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A
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V
N
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ANG--
G
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A
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N
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W
N
Y
F
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--
T
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S
Q
N
P
I
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Y
------------------
V
A
T
----
R
Y
N
QVQTSDHGGVP
C
L
T
G
----
G
-
D
-
T
--------
H
A
-
A
A
D
---
I
I
C
Y
M
-
N
-
G
Y
K
----------------------
D
N
R
-
R
E
--
K
F
F
--
T
K
---
S
-----------
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----------
W
-------
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D
Y
V
G
M
---
R
-----------------
R
------
G
-----
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---
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----
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----
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-----------
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T
-
G
H
K
Y
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G
--
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-----
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A
----
P
T
---
S
P
L
Y
W
M
-
N
A
A
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A
F
L
R
A
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G
Q
A
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F
N
F
S
M
-
G
---
G
T
A
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Y
N
Q
G
I
R
L
S
-----------
F
E
Q
W
------------
G
----------
A
---------
D
-------------
G
-------------------------------------
V
E
D
Y
L
K
D
---------
D
V
N
K
----------------------
P
T
A
Y
TDPAGTNTYQNALSNITIK------
W
-----------------
N
----
D
---------------------
S
A
----
D
-------------------------------
K
----
E
-------------
E
----------
K
Q
E
R
I
I
V
Q
K
W
-
I
-
A
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N
W
--
Q
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L
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G
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N
E
A
W
A
D
F
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R
-----
T
G
Y
P
K
L
I
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K
-
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N
--
K
----
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D
----
S
E
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K
G
------
A
----------
R
R
-
M
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P
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Y
P
L
D
E
F
V
S
N
K
A
N
V
E
---------
Y
A
I
A
NYLHG-----
A
--------
D
N
M
A
--------
T
-------
D
V
-
W
W
A
S
--
38
HHSearch
84.12
22%
-41
- C3 -
3FDH
1
?
A:
[18-496]
-------------------------------------
S
-
V
A
S
R
F
-------
I
-
L
A
-----
D
V
I
T
S
T
A
F
S
N
-----
A
---
S
----
G
D
-
I
------
N
T
Y
A
S
S
Y
I
E
Y
E
V
G
V
D
--
N
-
Q
-
L
--
Y
Y
A
-
E
V
-
R
E
N
-
E
P
-
S
S
SS
T
F
N
N
S
W
N
--
G
I
Y
S
-
S
L
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K
--
N
A
R
I
I
I
D
-
Q
C
G
E
G
GR
D
H
-
G
N
D
-
V
T
-
R
-
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M
A
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M
A
A
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N
C
-
A
-
L
I
A
D
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F
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F
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G
D
A
P
C
S
Q
A
A
----------
M
---
T
--
P
K
M
D
T
Q
Q
E
I
Y
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T
Q
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Y
L
D
D
A
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A
N
L
Q
------
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E
-
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L
A
----
D
V
T
E
----
Q
D
F
L
Y
A
G
D
A
D
-----
K
W
L
K
F
A
Y
G
L
K
A
R
--
Y
T
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M
R
L
----
I
N
-----
R
----
S
S
N
---
K
S
A
D
Y
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L
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Y
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-----
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-----
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S
F
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A
A
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S
N
--
N
I
N
P
F
-
Y
------------------
G
F
Y
-------------------
N
S
R
----
A
-
G
-
F
--------
G
A
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S
---
L
G
T
K
L
-
L
-
A
Y
N
----------------------
D
P
R
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A
N
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F
F
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--
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I
---
V
-----------
D
K
K
R
S
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A
---
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-------
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S
L
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P
A
---
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-----------------
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------
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-----
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---
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Q
----
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----
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-----------
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-
K
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Y
G
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--
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-----
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----
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---
A
P
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L
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Y
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L
M
F
L
K
A
E
A
-
L
C
R
L
N
R
-------
D
A
E
D
A
L
K
E
A
V
V
A
G
L
L
N
A
E
N
S
I
S
I
A
I
K
E
L
------------
G
SG
L
N
T
N
SSEV
I
---------
T
-------------
E
T
----------------------
S
-------------
A
G
K
Y
F
D
D
---------
V
-------------------------
V
----------------------------
K
--------------------------------------------
A
K
----
Y
-------------------------------
A
----
A
-------------
N
----------
P
L
Q
E
T
M
I
Q
K
Y
-
L
-
A
-
M
W
GA
S
G
E
-
A
-
T
E
T
Y
N
D
F
R
R
M
K
G
L
N
E
N
F
I
T
L
T
N
P
--------------
N
-
N
-------
S
S
-
K
F
------
P
----------
L
R
-
Y
-
P
-
Y
G
N
S
D
T
A
A
N
P
-
E
V
K
---------
A
A
Y
GNG--------
D
--------
Y
V
Y
S
--------
E
-------
P
V
-
W
W
A
G
--
30
HHSearch
83.10
19%
-40
- C3 -
4F53
3
?
A:
[23-519]
-------------------------------------------
V
D
W
Y
L
V
R
S
L
-
A
L
-----
N
L
Q
D
L
M
M
P
E
Q
---------
E
----
N
F
-
S
--
Q
Y
V
D
C
L
M
A
G
A
F
S
G
Y
V
A
D
S
N
LG
T
G
W
-
S
--
G
-
R
-
Y
A
-
T
Y
N
-
P
S
-
D
D
--
W
K
K
I
P
F
N
--
D
F
Y
S
K
F
Y
-
P
--
D
Y
F
N
L
K
N
-
Q
S
D
D
--------
E
-
L
F
-
L
-
S
L
A
E
L
Y
R
I
V
V
M
-
L
-
R
V
T
D
-
T
-
Y
-
G
P
I
P
Y
S
K
V
G
A
A
N
------
A
I
---
K
--
S
P
Y
D
S
Q
Q
A
V
Y
-
A
K
M
L
E
D
L
D
N
I
I
T
V
L
G
------
K
F
-
G
N
Q
S
----
F
S
S
S
----
A
D
R
I
Y
N
G
N
T
S
-----
A
W
Y
K
F
A
N
S
L
K
L
R
--
M
A
-
M
R
T
----
C
Y
VAGFN
V
----
N
G
K
---
T
---
S
--
Q
Q
-
L
A
E
E
-
A
--
V
A
-
A
-----
G
V
M
-
T
A
A
T
D
G
A
Y
-
R
K
-
V
A
--
D
-
H
-
N
P
W
-
Q
------------------
R
F
M
-------------------
V
L
W
----
S
-
D
-
A
--------
R
I
-
S
A
D
---
L
T
C
Y
M
-
N
-
A
Y
N
----------------------
D
P
R
-
R
E
--
A
Y
Y
--
D
K
---
S
-----------
T
F
G
T
V
S
G
NAYT
G
-------
E
E
----------
S
Y
V
G
L
---
R
-----------------
R
------
G
-----
I
L
---
Q
G
----
Q
----
Y
N
-----------
S
W
-
S
Q
G
S
S
C
--
M
K
-----
V
T
----
T
S
---
D
N
I
V
V
F
-
R
A
S
E
V
A
F
L
R
A
E
G
-
A
L
R
N
W
N
M
-
G
---
G
T
A
K
D
F
Y
E
E
G
I
R
L
S
-----------
F
E
E
N
------------
G
----------
I
---------
T
-------------
S
-----------------------
G
-------------
V
E
N
Y
L
A
S
---------
T
G
K
V
E
A
YKD-----------------
P
----------------------------
L
KGQSAQTYDY
S
G
A
I
N
T
N
V
TVAW
S
---------------------
G
G
----
D
-------------------------------
F
----
E
-------------
K
----------
S
L
E
Q
I
I
T
Q
K
W
-
I
-
A
-
N
F
--
P
-
N
-
G
-
M
E
S
W
T
E
Y
R
R
-----
T
G
Y
P
K
L
M
P
M
A
-
A
-
N
--
A
----
S
G
G
-
I
-
V
N
----
D
A
-
E
G
------
A
----------
R
R
-
M
-
P
-
Y
P
T
D
E
Y
R
E
N
R
E
S
V
E
---------
A
A
V
A
T
L
T
Q
E
SKTKR
G
--------
D
T
M
A
--------
T
-------
H
V
-
W
W
D
C
--
2
PsiBlast_PDB
81.60
22%
-37
- C3 -
3SGH
-
?
A:
[45-467]
------------------------------------------------------------------------------------------------
S
F
S
G
Q
V
T
A
T
A
N
W
S
--
F
-
G
-
K
--
N
-
I
-
F
A
-
Y
Y
N
-
A
S
-
E
G
--
H
N
D
S
S
W
G
--
R
L
Y
G
Y
I
Y
-
P
--
S
F
F
L
-
V
E
-
N
S
T
E
K
--
K
G
-
V
I
Y
--
A
-
M
-
A
Q
L
T
R
V
Y
G
M
Q
L
-
L
-
A
S
---
L
-
Q
-
G
P
I
P
Y
T
Q
M
K
-
A
G
--
E
---
T
E
---
A
--
P
-
Y
D
N
E
Q
T
V
W
-
H
A
M
F
D
D
L
D
N
A
I
T
I
L
K
------
S
A
-
A
-
T
F
----
G
V
N
Q
D
L
A
V
V
D
Q
F
Y
K
G
D
C
S
-----
K
W
L
K
F
A
N
T
L
K
L
R
--
M
A
-
I
R
I
----
S
G
-----
V
----
E
P
E
---
Y
---
A
--
Q
T
-
K
A
Q
E
-
A
--
V
L
-
G
-----
G
V
M
-
E
S
V
G
D
S
----
S
Y
D
T
T
N
G
-
G
I
N
E
N
G
Y
------------------
A
I
V
S
G
W
P
E
V
R
-----------
A
N
A
C
----
L
-
V
-
S
--------
Y
M
-
N
G
Y
-------------
N
----------------------
D
P
R
-
R
P
--
A
Y
F
--
T
P
QTQ
T
-----------
A
----------
A
-------
G
-----------
G
Y
V
G
V
---
R
-----------------
S
------
G
SAEIP
E
P
---
T
V
----
Y
----
A
N
--
Y
---
S
---
K
L
F
-
I
A
T
-------------
D
----
K
T
---
L
P
Q
P
V
M
-
Y
A
A
E
A
A
F
L
R
A
E
G
-
A
L
K
G
W
N
M
-
G
G
D
---
A
K
T
F
Y
E
K
G
V
R
L
S
-----------
F
E
E
F
------------
G
----------
V
---------
S
-------------
G
A
----------------------
D
D
Y
L
A
DATS
I
P
G
N
Y
V
D
N
L
I
A
G
---------
H
-------------------------
T
----------------------------
G
-----------------
N
----
N
---------------------
Y
T
----
N
-------------------------------
Q
----
S
SITIKWEDGAD
D
A
K
----------
K
L
E
R
V
L
T
Q
K
W
-
I
-
A
-
C
Y
--
P
-
D
-
P
-
M
N
G
W
A
D
F
R
R
-----
T
G
Y
P
R
I
F
P
A
T
-
E
-
S
--
M
----
N
-
A
-
D
-
C
N
----
T
G
-
R
G
------
Q
----------
R
R
-
L
-
R
-
F
T
R
S
E
Y
N
N
N
------------------------------------------------------------------
9
PsiBlast_PDB
80.25
20%
-48
- C3 -
3MX3
2
?
A:
[19-471]
-------------------------------------
K
-
V
T
S
S
L
-------
L
-
A
T
-----
G
L
L
L
D
I
T
S
S
S
-----
A
---
S
----
K
S
-
F
--
I
--
Y
D
E
L
L
A
K
Q
M
-------------
A
--
W
-
G
-
E
S
-
M
E
D
-
Y
Q
-
Y
N
--
V
F
G
R
S
-------
G
F
G
G
Y
T
--
T
L
I
N
A
Q
K
-
M
V
E
S
V
--
S
D
-
D
N
V
-
N
A
-
Y
D
G
L
A
H
F
I
K
A
Y
K
I
-
F
-
Y
M
S
M
-
E
-
M
-
G
D
L
P
Y
E
E
A
L
-
Q
G
--
E
---
L
G
---
L
VR
P
K
Y
N
T
Q
K
E
V
M
-
N
F
I
L
S
D
L
E
T
A
Y
E
L
--------
F
S
-
T
-
A
K
----
D
F
D
G
-----
D
P
I
L
G
G
S
I
S
-----
K
W
K
K
A
T
T
A
F
Q
L
K
--
V
L
-
M
H
L
S
KKE
S
D
-----
A
----
D
L
K
---
V
---
K
--
E
R
-
F
A
R
I
-
V
--
A
S
-
G
-----
S
L
M
-
E
S
N
E
D
N
L
Q
-
M
K
Y
A
--
A
N
-
T
V
Y
P
F
-
H
------------------
N
T
N
----
T
K
H
-----------
A
G
Y
A
----
M
-
L
-------------
S
T
M
---
L
I
D
K
F
-
K
-
A
T
G
----------------------
D
I
R
-
M
F
--
Y
Y
A
--
K
P
---
A
-----------
K
----------
A
-------
K
-----------
L
N
E
G
V
---
T
ADSWDA
Y
I
G
T
DPSLP
F
E
Q
------
I
-----
E
K
---
A
Y
----
A
----
T
E
--
Q
---
Y
---
S
G
F
-
N
A
R
Y
T
D
--
Y
P
-----
S
G
----
E
P
---
V
V
R
L
G
Y
-
A
--
E
Q
N
F
I
L
A
E
A
-
A
V
R
G
W
I
S
-
G
D
----
A
S
A
Y
Y
K
K
A
I
R
A
H
-----------
M
E
F
I
------------
A
----------
S
---------
N
-------------
T
P
----------------------
D
-------------
E
E
V
Y
H
H
G
---------
H
-------------------------
P
IT
E
E
A
I
A
A
F
L
------------------
E
-----------------
T
----
P
---------------------
A
I
----
Q
LSGE---------------------------
K
----
E
-------------
E
----------
D
I
E
K
I
L
T
Q
R
Y
-
L
A
S
-
F
M
--
Q
-
H
-
P
-
Y
D
V
Y
Y
D
Y
R
R
-----
T
G
-----
Y
P
V
-
L
-
P
--
I
N
PAT
N
-
R
-
N
-
T
M
----
N
D
-
R
L
------
P
----------
M
R
-
W
-
M
-
Y
P
K
S
E
S
D
Y
N
L
E
H
Q
N
---------
E
-------------
A
-------------------------------------
37
HHSearch
79.92
21%
-38
- C3 -
4LER
-
?
A:
[13-469]
---------------------------------------
T
N
P
S
L
-------
L
-
L
T
-----
G
V
A
Y
S
A
F
N
Q
T
-----
S
---
S
----
D
A
---------
C
H
---
A
A
K
M
L
I
L
T
S
--
G
------
E
-
S
-
K
Y
-
Q
V
Y
K
W
T
-
R
G
-------
D
F
--
D
Y
Y
-
S
N
L
-
R
--
D
V
T
K
M
S
E
-
E
A
G
E
-------
G
S
-
A
Y
-
Q
-
A
L
A
H
F
F
R
A
N
Y
F
-
Y
-
Q
L
T
L
-
D
-
F
-
G
S
I
P
Y
T
D
A
L
-
K
A
--
E
TDA
N
Y
---
Q
--
P
A
Y
D
S
Q
E
V
V
L
-
A
G
I
L
K
E
L
E
E
A
D
K
M
L
E
------
G
S
-
D
-
E
------
I
I
S
----
G
D
I
I
Y
N
G
N
L
V
-----
N
W
R
K
L
I
N
A
Y
R
L
R
--
I
L
-
M
S
L
----
S
G
-----
K
----
E
K
V
-------
G
--
D
I
-
D
V
K
S
-
E
--
F
S
-
K
I
V
A
D
G
P
L
M
-
E
S
L
S
D
N
G
Q
-
L
I
Y
L
D
Q
Q
D
-
N
R
Y
P
Y
-
F
------------------
N
D
S
-------------------
D
F
G
----
S
-
G
-
R
--------
F
M
-
D
S
T
---
Y
I
A
E
L
-
A
-
T
R
Q
----------------------
D
P
R
-
L
F
--
A
V
A
--
T
Q
---
T
P
N
A
E
K
A
GKAIN
D
----------
F
-------
S
-----------
S
Y
D
G
G
---
D
-----------------
P
------
A
-----
V
P
---
Y
S
----
L
----
V
N
--
D
K
A
-
V
---
A
G
N
-
C
S
K
P
A
P
--
R
Y
YQ---
T
P
----
T
N
---
E
P
M
V
L
L
-
G
Y
V
E
Q
Q
L
I
L
A
E
A
-
V
V
R
G
W
I
Q
-----
G
D
D
K
I
Y
Y
E
S
A
V
K
A
S
-----------
F
E
F
Y
------------
Q
----------
K
Y
AVSVADYL
T
-------------
Q
D
----------------------
A
-------------
A
A
E
Y
L
R
N
---------
D
-------------------------
K
----------------------------
V
-----------------
A
----
Y
---------------------
S
S
SL--
S
-------------------------------
T
----
D
-------------
E
----------
K
I
E
R
I
I
M
Q
K
Y
-
L
-
P
-
T
F
--
L
-
Q
G
S
V
W
L
P
Y
Y
E
A
L
R
-----
T
G
Y
P
D
F
R
R
A
------------
A
-----------
G
V
-
S
L
------
P
----------
Y
R
-
W
-
M
-
Y
P
Q
D
E
Y
N
N
N
A
T
H
V
E
A
A
L
N
E
Q
FG-
G
-------------
S
--------
D
K
T
S
--------
D
-------
K
P
-
W
W
L
Q
--
28
HHSearch
79.25
19%
-44
- C3 -
3MX3
2
?
A:
[19-490]
-------------------------------------
K
-
V
T
S
S
L
-------
L
-
A
T
-----
G
L
L
L
D
I
T
S
S
S
-----
A
---
S
----
K
S
-
F
-------
I
Y
D
E
L
L
A
K
Q
M
A
W
G
E
--
S
------
M
-
E
-
D
Y
-
Q
Y
N
-
V
------
F
G
R
S
G
F
---
G
G
Y
-
T
T
L
-
I
--
N
A
Q
K
M
V
E
-
S
V
S
D
D
-----
N
V
N
-
A
Y
-
D
-
G
L
A
H
F
I
K
A
Y
K
I
-
F
-
Y
M
S
M
-
E
-
M
-
G
D
L
P
Y
E
E
A
L
-
Q
G
E
L
G
---
L
V
---
R
--
P
K
Y
N
T
Q
K
E
V
M
-
N
F
I
L
S
D
L
E
T
A
Y
E
L
F
S
------
T
A
-
K
-------
D
F
-
D
----
G
D
P
I
L
G
G
S
I
S
-----
K
W
K
K
A
T
T
A
F
Q
L
K
--
V
L
-
M
H
L
----
S
K
-----
K
----
E
S
D
ADL
K
---
V
--
K
E
-
R
F
A
R
-
I
--
V
A
-
S
G----
S
L
M
-
E
S
N
E
D
N
L
Q
-
M
K
Y
A
--
A
N
-
T
V
Y
P
F
-
H
------------------
N
--------
T
-----------
N
T
K
H
----
A
-
G
Y
A
--------
M
L
-
S
T
M
---
L
I
D
K
F
-
K
-
A
T
G
----------------------
D
I
R
-
M
F
--
Y
Y
A
--
K
P
---
A
-----------
K
A
K
L
N
------
E
GVTADSW
D
-----------
A
Y
I
G
T
---
D
-----------------
P
------
S
-----
L
P
---
F
E
----
Q
----
I
E
K
A
Y
---
A
---
T
E
Q
-
Y
S
G
F
N
A
--
R
Y
-----
T
D
YP--
S
G
---
E
P
V
V
R
L
-
G
Y
A
E
Q
N
F
I
L
A
E
A
-
A
V
R
G
W
I
S
-----
G
D
A
S
A
Y
Y
K
K
A
I
R
A
H
-----------
M
E
F
I
A
S
N
TPDEEVYHH
G
----------
H
---------
P
IT-----------
E
E
----------------------
A
-------------
I
A
A
F
L
E
T
---------
P
-------------------------
A
----------------------------
I
-----------------
Q
----
L
---------------------
S
G
----
E
-------------------------------
K
----
E
-------------
E
----------
D
I
E
K
I
L
T
Q
R
Y
-
L
-
A
-
S
F
--
M
-
Q
-
H
P
Y
D
V
Y
Y
D
Y
R
R
-----
T
G
Y
P
V
L
P
I
N
P
A
T
-
N
--
R
--------
N
-
T
M
----
N
D
-
R
L
------
P
----------
M
R
-
W
-
M
-
Y
P
K
S
E
S
D
Y
N
L
E
H
Q
N
E
A
L
E
R
Q
FG-
G
-------------
V
--------
D
D
V
N
--------
K
-------
L
M
-
W
I
L
Q
--
4
PsiBlast_PDB
75.68
22%
-53
- C3 -
3EHM
-
?
A:
[110-501]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
K
D
S
--
D
S
-
P
S
E
-
Q
A
-
I
-
L
E
I
A
N
I
V
R
N
I
A
-
W
L
R
A
T
D
-
V
-
F
-
G
P
I
A
Y
N
S
A
G
-
D
G
--
S
---
I
A
------
P
K
F
D
S
Q
E
V
V
Y
-
R
S
M
L
A
D
L
S
K
S
V
E
L
L
N
------
T
I
-
S
-
Y
S
----
V
M
A
Q
----
Y
D
L
I
Y
N
G
N
V
Q
-----
N
W
V
K
L
A
N
S
L
M
L
R
--
I
V
-
V
R
V
H
F--
I
D
-----
E
----
T
L
A
---
K
---
E
--
Y
I
-
T
K
A
L
D
P
--
K
N
-
G
-----
G
V
I
-
E
D
I
S
S
E
A
K
-
I
K
S
S
D
K
M
P
-
L
L
N
S
M
-
L
ASVN--------------
E
Y
N
----
E
T
R
-----------
M
G
A
T
----
I
-
W
-
G
--------
Y
L
-
D
G
Y
-------------
K
----------------------
D
P
R
-
L
S
--
A
Y
F
--
T
E
---
G
T
Y
---------
G
----------
S
-------
G
-----------
S
W
A
Q
T
---
G
-----------------
Y
------
F
-----
P
V
---
A
P
----
T
----
N
S
--
K
---
S
---
K
S
E
-
T
S
Y
S
A
K
--
F
A
-----
S
R
PKVD
S
N
---
S
P
L
Y
W
F
-
R
A
S
E
T
Y
F
L
K
A
E
A
-
A
L
Y
N
L
I
G
-
G
D
----
P
K
T
F
Y
E
Q
G
I
N
I
S
-----------
F
Q
E
Q
------------
G
----------
V
------------------------
S
----------------------
G
-------------
V
A
T
Y
L
S
G
---------
T
-------------------------
G
----------------------------
K
-----------------
P
----
T
---------------------
G
L
----
T
GSNYKY
G
T
Y
N
H
DLSIGNTSPKWDDYTGNLS
K
Q
----
E
-------------
E
----------
Q
L
Q
K
I
I
T
Q
K
Y
-
L
-
A
-
L
Y
--
P
-
N
-
A
-
V
E
A
W
T
E
Y
R
R
-----
T
G
-----
F
P
Y
-
L
-
M
--
K
----
P
-
M
-
D
-
E
A
----
A
P
-
G
R
------
I
GASIEDCRVP
E
R
-
F
-
R
-
F
A
P
T
A
Y
N
S
N
P
N
----------------------------------------------------------------
3
PsiBlast_PDB
75.63
25%
-59
- C3 -
4LER
-
?
A:
[13-379]
---------------------------------------
T
N
P
S
L
-------
L
-
L
T
-----
G
V
A
Y
S
-
A
F
N
Q
-----
T
---
S
----
S
D
--------------
A
C
H
A
A
K
M
L
I
--
L
-
T
-
S
----
G
-
E
S
-
K
Y
Q
-
V
Y
-
K
W
--
T
R
G
D
F
----
D
Y
Y
S
-------
N
L
R
D
V
T
K
-
M
S
E
E
A
G-
E
G
-
S
A
Y
-
Q
A
-
L
-
A
H
--
F
F
R
A
N
Y
F
-
Y
-
Q
L
T
L
-
D
-
F
-
G
S
I
P
Y
T
D
A
L
-
K
A
--
E
---
T
D
AN
Y
Q
--
P
A
Y
D
S
Q
E
V
V
L
-
A
G
I
L
K
E
L
E
E
A
D
K
M
L
E
------
G
S
-
D
-------
E
I
I
S
----
G
D
I
I
Y
N
G
N
L
V
-----
N
W
R
K
L
I
N
A
Y
R
L
R
--
I
L
-
M
S
L
----
S
G
-----
K
EKVG
D
I
D
---
V
---
K
--
S
E
-
F
S
K
I
-
V
--
A
D
-
G
-----
P
L
M
-
E
S
L
S
D
N
G
Q
-
L
I
Y
L
D
Q
Q
D
-
N
R
Y
P
Y
-
F
------------------
N
D
S
----
D
F
G
-----------
S
G
R
---------
F
--------
M
D
-
S
T
Y
---
I
A
E
-
L
-
A
-
T
R
Q
----------------------
D
P
R
-
L
F
--
A
V
A
TQ
T
P
---
N
-----------
A
----------
E
-------
K
-----------
A
G
K
A
I
---
N
-----------------
D
FSS
Y
D
G
G
-----
D
P
---
A
V
P
Y
S
L
V
----
N
D
--
K
A
V
A
G
---
N
C
S
-
K
P
A
P
R
Y
--
Y
Q
-----
T
P
----
T
N
---
E
P
M
V
L
L
-
G
Y
V
E
Q
Q
L
I
L
A
E
A
-
V
V
R
G
W
---
I
Q
G
D
D
K
I
--
Y
Y
E
S
A
V
K
A
S
-----------
F
E
F
Y
------------
Q
----------
K
---------
Y
-------------
A
V
----------------------
S
-------------
V
A
D
Y
L
T
Q
---------
D
-------------------------
A
----------------------------
A
-----------------
A
----
E
---------------------
Y
L
----
R
-------------------------------
N
----
D
-------------
K
----------
V
A
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
75.48
24%
-47
- C3 -
3P1U
-
?
A:
[45-434]
-------------------------------------------------------------------------------------
D
-
F
--
Y
--------
S
Q
M
T
V
D
G
G
--------
G
--
W
-
G
-
T
K
-
N
Y
I
-
Q
D
-
D
E
--
W
N
N
L
V
W
E
--
E
Y
L
K
Q
I
A
-
S
---
I
N
I
V
I
R
-
S
L
T
E
K
--
D
K
-
D
A
Y
A
N
T
-
I
-
A
F
A
R
I
W
R
V
Y
V
H
-
T
-
L
A
A
D
-
K
-
F
-
G
P
M
P
F
P
-
A
Y
-
E
I
--
V
---
E
A
---
N
--
P
P
Y
K
S
L
K
D
I
Y
-
D
E
Y
F
R
E
L
D
A
A
I
N
G
F
N
DSAQPI
F
S
-
D
-
A
G
----
I
--------
D
L
I
Y
K
N
D
V
S
-----
K
W
K
R
F
A
N
S
L
R
L
R
L
A
V
R
-
L
T
E
----
V
D
-----
Q
----
E
K
C
---
I
---
A
--
E
A
-
N
A
A
I
-
S
--
S
P
-
A
-----
G
L
I
-
S
D
K
A
D
N
A
Y
-
M
P
P
K
A
D
G
S
W
G
Q
D
Y
N
-
Y
TMFQITWSGPICMS
K
S
V
E
K
L
V
----
T
N
I
-----------
G
G
V
A
WPQG
V
-
V
-
N
--------
Q
T
-
S
G
V
---
A
V
S
S
V
-
H
P
E
K
V
----------------------
D
P
R
-
A
P
--
K
I
F
--
Q
P
---
G
I----------
E
----------
N
-------
G
-----------
D
W
K
G
L
VYG
P
-----------------
K
------
A
-----
E
E
---
A
N
----
T
GIYQ
S
K
--
Q
---
C
---
A
E
L
-
G
F
I
I
K
D
--
G
Y
-----
P
Y
----
K
S
---
R
P
Y
D
L
F
-
L
S
E
E
V
H
F
L
K
A
E
L
-
Y
A
R
G
F
I
A
-
G
D
----
A
K
S
E
Y
E
A
G
V
R
A
S
-----------
F
A
T
W
------------
G
----------
V
---------
T
--------------
S
----------------------
E
-------------
V
D
D
Y
L
T
S
---------
T
-------------------------
E
----------------------------
K
-----------------
N
----
E
---------------------
A
G
----
T
-------------------------------
S
----
A
-------------
R
YDDQQGAGNT
A
L
E
K
I
I
T
Q
K
Y
-
I
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
75.44
22%
-52
- C3 -
3EHN
1
?
A:
[110-501]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
K
D
S
--
D
S
-
P
S
E
-
Q
A
-
I
-
L
E
I
A
N
I
V
R
N
I
A
-
W
L
R
A
T
D
-
V
-
F
-
G
P
I
A
Y
N
S
A
G
-
D
G
--
S
---
I
A
------
P
K
F
D
S
Q
E
V
V
Y
-
R
S
M
L
A
D
L
S
K
S
V
E
L
L
N
------
T
I
-
S
-
Y
S
----
V
M
A
Q
----
Y
D
L
I
Y
N
G
N
V
Q
-----
N
W
V
K
L
A
N
S
L
M
L
R
--
I
V
-
V
R
V
H
F--
I
D
-----
E
----
T
L
A
---
K
---
E
--
Y
I
-
T
K
A
L
D
P
--
K
N
-
G
-----
G
V
I
-
E
D
I
S
S
E
A
K
-
I
K
S
S
D
K
M
P
-
L
L
N
S
M
-
L
A
S
V
N--------------
E
Y
N
----
E
T
R
-----------
M
G
A
T
----
I
-
W
-
G
--------
Y
L
-
D
G
Y
-------------
K
----------------------
D
P
R
-
L
S
--
A
Y
F
--
T
E
---
G
T
Y
---------
G
----------
S
-------
G
-----------
S
W
A
Q
T
---
G
-----------------
Y
------
F
-----
P
V
---
A
P
----
T
----
N
S
--
K
---
S
---
K
S
E
-
T
S
Y
S
A
K
--
F
A
-----
S
R
PKVD
S
N
---
S
P
L
Y
W
F
-
R
A
S
E
T
Y
F
L
K
A
E
A
-
A
L
Y
N
L
I
G
-
G
D
----
P
K
T
F
Y
E
Q
G
I
N
I
S
-----------
F
Q
E
Q
------------
G
----------
V
------------------------
S
----------------------
G
-------------
V
A
T
Y
L
S
G
---------
T
-------------------------
G
----------------------------
K
-----------------
P
----
T
---------------------
G
L
----
T
GSNYKY
G
T
Y
N
H
DLSIGNTSPKWDDYTGNLS
K
Q
----
E
-------------
E
----------
Q
L
Q
K
I
I
T
Q
K
Y
-
L
-
A
-
L
Y
--
P
-
N
-
A
-
V
E
A
W
T
E
Y
R
R
-----
T
G
-----
F
P
Y
-
L
-
M
--
K
----
P
-
M
-
D
-
E
A
----
A
P
-
G
R
------
I
GASIEDCRVP
E
R
-
F
-
R
-
F
A
P
T
A
Y
N
S
N
P
N
----------------------------------------------------------------
18
Fugue
72.76
17%
-26
- C3 -
3CGH
-
?
A:
[10-516]
---------------------------
P
Y
E
A
P
D
L
S
A
D
G
-
Y
A
L
G
S
-------
A
M
N
N
-----
L
A
G
C
V
V
S
P
D
V
-----
N
---
T
----
A
Q
-
F
--
T
--
D
C
L
L
G
G
P
L
G
G
Y
F
A
D
S
N
--
A
-
G
-
F
--
T
-
E
-
T
I
-
S
N
F
-
N
P
-
K
D
--
D
W
S
R
V
F
L
--
K
S
D
K
I
I
P
-
T
--
L
Y
S
N
L
T
Q
-
V
K
L
V
S
--
Q
N
-
T
N
D
-
P
V
-
P
-
Y
A
I
A
Q
V
I
K
V
A
A
M
H
-
R
V
T
D
-
A
-
F
-
G
P
I
P
Y
S
Q
I
G
-
A
N
--
G
---
E
I
---
A
--
T
P
Y
D
S
Q
E
V
T
Y
-
N
T
F
F
D
E
L
N
A
A
I
A
T
L
N
------
E
N
S
N
-
E
Q
----
L
V
P
T
----
A
D
Y
I
Y
K
G
D
V
K
-----
K
W
I
R
F
A
N
S
L
K
L
R
--
L
A
-
I
R
I
----
A
Y
-----
A
----
N
P
V
---
K
---
A
--
Q
Q
M
A
E
E
A
-
V
NP
A
N
-
G
-----
G
V
I
-
E
S
N
A
D
N
A
T
-
W
N
Y
F
E
T
S
Q
-
N
P
I
Y
V
-
A
------------------
T
R
Y
----
N
Q
V
-----------
Q
T
S
D
----
H
-
G
-
G
VPCLTGGD
T
H
-
A
A
A
---
D
I
I
C
Y
M
N
-
G
Y
K
----------------------
D
N
R
-
R
E
--
K
F
F
--
T
K
---
S
-----------
E
----------
W
-------
A
-----------
G
Q
D
Y
V
---
G
M
----------------
R
------
R
-----
G
I
---
V
I
----
P
----
E
L
--
K
---
T
---
T
G
H
-
K
Y
---
S
--
G
V
-----
N
I
----
A
P
---
T
S
P
L
Y
W
M
N
A
A
E
V
A
F
L
R
A
E
G
-
Q
A
V
F
N
F
S
M
G
G
T
---
A
E
S
F
Y
N
Q
G
I
R
L
S
-----------
F
E
Q
W
------------
G
----------
A
DG-------
V
-------------
E
D
----------------------
Y
-------------
L
K
D
D
V
N
K
---------
P
-------------------------
T
----------------------------
A
-----------------
Y
----
T
DPAGTNTYQNALSNITIKWND
S
A
----
D
-------------------------------
K
----
E
-------------
E
----------
K
Q
E
R
I
I
V
Q
K
W
-
I
-
A
-
N
W
--
Q
-
L
-
G
-
N
E
A
W
A
D
F
R
R
-----
T
G
Y
P
K
L
I
P
V
K
-
E
-
N
--
K
----
S
-
G
-
G
-
V
V
----
D
S
-
E
K
------
G
----------
A
R
-
R
M
P
-
Y
P
L
D
E
F
V
S
N
K
A
N
V
E
---------
Y
-------------
A
--------
I
A
N
Y
LHGADNMA
T
-------
D
V
-
W
W
A
S
KK
19
Fugue
67.76
18%
-24
- C3 -
3MX3
2
?
A:
[19-490]
-------------------------------------
K
-
V
T
S
S
L
-------
L
-
A
T
-----
G
L
L
L
D
I
T
S
S
S
-----
A
---
S
----
K
S
-
F
--
I
--
Y
D
E
L
L
A
K
-----------------------
Q
M
A
W
G
-
E
S
M
E
D
--
Y
Q
Y
N
V
F
G
--
R
S
G
F
G
G
Y
-
T
--
T
L
I
N
A
Q
K
M
V
E
S
V
S
--
D
D
-
N
V
N
-
A
Y
-
D
-
G
L
A
H
F
I
K
A
Y
K
I
-
F
-
Y
---
M
S
M
E
M
G
D
L
P
Y
E
E
A
L
-
Q
G
--
E
L
G-
L
V
---
R
--
P
K
Y
N
T
Q
K
E
V
-
M
N
F
I
L
S
D
L
E
T
A
Y
E
L
F
S
------
T
A
-
K
-
D
F
-------
D
----
G
D
P
I
L
G
G
S
I
S
-----
K
W
K
K
A
T
T
A
F
Q
L
K
--
V
L
M
H
L
S
----
K
K
-----
E
----
S
D
A
---
D
---
L
K
V
K
E
-
R
F
A
R
-
I
--
V
A
-
S
-----
G
S
L
M
E
S
N
E
D
N
L
Q
M
K
Y
A
A
N
T
V
Y
-
P
F
H
N
T
-
N
------------------
T
K
H
----
A
G
Y
---------------------------------
A
M
L
S
T
M
--
L
I
D
K
F
-
K
-
A
T
G
----------------------
D
I
R
M
F
Y
--
Y
A
K
--
P
A
---
K
-----------
A
----------
K
-------
L
N
E
GVTADSWD-
A
Y
I
G
T
DP-
S
-----------------
L
------
P
-----
F
E
---
Q
I
----
E
----
K
A
--
Y
---
A
---
T
E
Q
-
Y
S
G
F
N
A
RY
T
D
-----
Y
P
----
S
G
---
E
P
V
V
R
L
-
G
Y
A
E
Q
N
F
I
L
A
E
A
-
A
V
R
G
W
-----
I
S
G
D
A
S
A
Y
Y
K
K
A
I
R
A
H
M
----------
E
F
I
A
------------
S
----------
N
---------
T
PDEEVYHHGHPIT
E
E
----------------------
A
-------------
I
A
A
F
L
E
T
---------
P
-------------------------
A
----------------------------
I
-----------------
Q
----
L
---------------------
S
G
----
E
-------------------------------
K
----
E
-------------
E
----------
D
I
E
K
I
L
T
Q
R
Y
-
L
-
A
-
S
F
M-
Q
-
H
-
P
-
Y
D
V
Y
Y
D
Y
R
R
-----
T
G
Y
-----
P
V
-
L
P
I
--
N
----
P
-
A
-
T
-
N
R
----
N
T
M
N
D
------
R
----------
L
P
M
R
-
W
M
Y
P
K
S
E
S
D
Y
N
L
E
H
Q
N
---------
E
-------------
A
--------
L
E
R
Q
--------
F
GGVDDVN
K
L
M
W
I
L
Q
--
8
PsiBlast_PDB
66.70
22%
-53
- C3 -
4F7A
2
?
A:
[119-446]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
L
K
V
E
A
M
-
H
-
R
I
T
D
-
T
-
Y
-
G
P
I
V
Y
S
K
F
---
G
--
K
---
N
E
---
T
--
N
S
V
D
T
Q
E
E
A
Y
-
K
A
F
F
D
D
L
D
K
A
V
D
A
L
D
------
T
Y
-
L
-
K
E
----
G
G
K
E
----
D
G
V
K
S
I
N
M
C
N
CPT
A
S
R
W
I
K
F
A
N
S
L
R
L
R
L
A
M
R
-
V
S
N
----
V
D
-----
K
----
T
L
A
---
T
---
S
--
E
A
-
Q
K
A
L
-
E
--
N
S
-
Y
-----
G
V
I
-
E
S
S
D
E
N
I
Q
-
I
---
S
G
K
G
-
Y
Q
N
P
----------------------
L
A
----
G
V
A
-----------
G
W
G
E
----
T
-
Y
-
M
--------
G
A
-
T
-----
I
A
S
V
L
-
N
-
G
Y
E
----------------------
D
P
R
-
I
S
--
I
Y
Y
--
N
P
---
A
TL---------
A
----------
E
-------
H
-----------
T
E
E
Y
L
---
G
-----------------
V
------
P
-----
Q
G
---
V
Y
----
A
----
K
D
--
G
---
D
PNY
Y
Q
S
-
Y
S
F
I
N
T
--
Q
T
-----
I
T
----
A
S
---
T
P
A
V
L
L
-
T
A
A
E
T
W
F
L
R
A
E
A
-
S
L
R
G
I
N
P
-
K
N
E
S
A
K
--
Q
C
Y
E
A
G
V
Q
T
S
-----------
F
S
Q
W
------------
G
----------
A
---------
G
-------------
D
A
S
L
Y
L
T
SKG
K
P
T
D
Y
I
NYAAGP
G
K
D
-------------
M
K
A
L
I
T
T
---------
T
-------------------------
P
----------------------------
N
-----------------
F
----
D
D--------------------
A
V
----
N
-------------------------------
Q
----
E
-------------
E
----------
Q
L
E
K
I
I
T
Q
K
W
-
I
-
A
-
C
W
--
P
-
E
-
G
-
M
E
A
W
A
E
Q
R
R
-----
T
G
---------------------------------------------------------------------------------------------------------------------------------------
User Run . : Multi Template Modeling Result:
(3 SA)
.........10........20........30........40........50........60........70........80........90........100.......110.......120.......130.......140.......150.......160.......170.......180.......190.......200.......210.......220.......230.......240.......250.......260.......270.......280.......290.......300.......310.......320.......330.......340.......350.......360.......370.......380.......390.......400.......410.......420.......430.......440.......450.......460.......470.......480......
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MI
M
K
K
K
I
L
A
Y
A
L
S
A
L
T
C
G
L
FTS
C
S
D
W
L
DINHDPNTAEKVDPG
Y
L
F
N
Y
V
A
V
N
W
A
GTRTGG
D
F
Y
I
PLSMSS
Q
C
QVDGGLDYGGWDE
S
V
Y
T
ISPYSTGN
T
W
K
H
Y
Y
S
VGG
N
N
L
M
L
A
IKNAEEADPVN
H
N
A
I
A
Q
C
K
I
L
L
A
E
H
M
Y
E
A
T
M
LWGDIPFTESWNG
T
I
KYPKFD
S
Q
E
S
V
L
N
G
V
L
S
L
L
D
E
A
L
Q
IMDLNDANAIDE
Y
D
I
Y
Y
KG
D
M
N
K
W
M
T
L
A
K
SL
K
F
R
T
L
M
V
M
VDKDPS
K
A
T
A
I
G
T
L
L
Q
AGGMVSSASD
N
L
V
F
P
YSAEPGNQNPK
Y
E
L
I
E
LVGG
T
Q
I
L
F
F
ASNYMLK
P
M
Q
ERNDPR
I
P
C
Y
FEPGA
D
G
V
Y
RGLGNREPAVTD
D
K
D
N
M
L
S
S
V
V
S
S
Y
L
FRKD
A
P
E
L
I
Y
S
C
Q
E
Q
L
L
L
E
A
E
A
Y
A
RGL
G
V
A
Q
N
L
S
K
A
N
E
L
Y
K
K
G
I
R
E
A
C
A
F
YGV
A
E
A
D
I
D
T
Y
VTG
L
P
E
L
T
A
L
T
Q
E
K
A
L
Y
E
I
H
M
Q
Q
W
I
D
L
M
D
R
P
F
E
E
F
V
Q
W
R
RSGTAGNEV
P
T
L
QVPEDA
T
S
K
E
L
I
R
R
WEY
S
P
E
E
MTANINAPKES
P
K
I
W
E
K
L
WFDL
70
94.82
100%
-61
- C- -
M070
-
A:
[33-611]
--------------------------------
P
N
T
A
E
K
V
D
P
G
Y
L
F
N
Y
V
A
V
N
W
A
G
T
R
T
G
G
D
F
Y
I
P
L
S
M
S
S
Q
C
Q
V
D
G
G
L
D
Y
G
G
W
D
E
S
V
Y
T
I
S
P
Y
S
T
G
N
T
W
K
H
Y
Y
S
V
G
G
N
N
L
M
L
A
I
K
N
A
E
E
A
D
P
V
N
H
N
A
I
A
Q
C
K
I
L
L
A
E
H
M
Y
E
A
T
M
L
W
G
D
I
P
F
T
E
S
W
N
G
T
I
K
Y
P
K
F
D
S
Q
E
S
V
L
N
G
V
L
S
L
L
D
E
A
L
Q
I
M
D
L
N
D
A
N
A
I
D
E
Y
D
I
Y
Y
K
G
D
M
N
K
W
M
T
L
A
K
S
L
K
F
R
T
L
M
V
M
V
D
K
D
P
S
K
A
T
A
I
G
T
L
L
Q
A
G
G
M
V
S
S
A
S
D
N
L
V
F
P
Y
S
A
E
P
G
N
Q
N
P
K
Y
E
L
I
E
L
V
G
G
T
Q
I
L
F
F
A
S
N
Y
M
L
K
P
M
Q
E
R
N
D
P
R
I
P
C
Y
F
E
P
G
A
D
G
V
Y
R
G
L
G
N
R
E
P
A
V
T
D
D
K
D
N
M
L
S
S
V
V
S
S
Y
L
F
R
K
D
A
P
E
L
I
Y
S
C
Q
E
Q
L
L
L
E
A
E
A
Y
A
R
G
L
G
V
A
Q
N
L
S
K
A
N
E
L
Y
K
K
G
I
R
E
A
C
A
F
Y
G
V
A
E
A
D
I
D
T
Y
V
T
G
L
P
E
L
T
A
L
T
Q
E
K
A
L
Y
E
I
H
M
Q
Q
W
I
D
L
M
D
R
P
F
E
E
F
V
Q
W
R
R
S
G
T
A
G
N
E
V
P
T
L
Q
V
P
E
D
A
T
S
K
E
L
I
R
R
W
E
Y
S
P
E
E
M
T
A
N
I
N
A
P
K
E
S
P
K
I
W
E
K
L
W
F
D
L
65
94.60
100%
-65
- C- -
M065
-
A:
[33-668]
--------------------------------
P
N
T
A
E
K
V
D
P
G
Y
L
F
N
Y
V
A
V
N
W
A
G
T
R
T
G
G
D
F
Y
I
P
L
S
M
S
S
Q
C
Q
V
D
G
G
L
D
Y
G
G
W
D
E
S
V
Y
T
I
S
P
Y
S
T
G
N
T
W
K
H
Y
Y
S
V
G
G
N
N
L
M
L
A
I
K
N
A
E
E
A
D
P
V
N
H
N
A
I
A
Q
C
K
I
L
L
A
E
H
M
Y
E
A
T
M
L
W
G
D
I
P
F
T
E
S
W
N
G
T
I
K
Y
P
K
F
D
S
Q
E
S
V
L
N
G
V
L
S
L
L
D
E
A
L
Q
I
M
D
L
N
D
A
N
A
I
D
E
Y
D
I
Y
Y
K
G
D
M
N
K
W
M
T
L
A
K
S
L
K
F
R
T
L
M
V
M
V
D
K
D
P
S
K
A
T
A
I
G
T
L
L
Q
A
G
G
M
V
S
S
A
S
D
N
L
V
F
P
Y
S
A
E
P
G
N
Q
N
P
K
Y
E
L
I
E
L
V
G
G
T
Q
I
L
F
F
A
S
N
Y
M
L
K
P
M
Q
E
R
N
D
P
R
I
P
C
Y
F
E
P
G
A
D
G
V
Y
R
G
L
G
N
R
E
P
A
V
T
D
D
K
D
N
M
L
S
S
V
V
S
S
Y
L
F
R
K
D
A
P
E
L
I
Y
S
C
Q
E
Q
L
L
L
E
A
E
A
Y
A
R
G
L
G
V
A
Q
N
L
S
K
A
N
E
L
Y
K
K
G
I
R
E
A
C
A
F
Y
G
V
A
E
A
D
I
D
T
Y
V
T
G
L
P
E
L
T
A
L
T
Q
E
K
A
L
Y
E
I
H
M
Q
Q
W
I
D
L
M
D
R
P
F
E
E
F
V
Q
W
R
R
S
G
T
A
G
N
E
V
P
T
L
Q
V
P
E
D
A
T
S
K
E
L
I
R
R
W
E
Y
S
P
E
E
M
T
A
N
I
N
A
P
K
E
S
P
K
I
W
E
K
L
W
F
D
L
52
94.57
100%
-56
- C- -
M052
-
A:
[38-618]
-------------------------------------
K
V
D
P
G
Y
L
F
N
Y
V
A
V
N
W
A
G
T
R
T
G
G
D
F
Y
I
P
L
S
M
S
S
Q
C
Q
V
D
G
G
L
D
Y
G
G
W
D
E
S
V
Y
T
I
S
P
Y
S
T
G
N
T
W
K
H
Y
Y
S
V
G
G
N
N
L
M
L
A
I
K
N
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